N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide

C20H28N2O2S — CID 22772493

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide
SMILESCCC(C)(C)C1CCC(NS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C20H28N2O2S/c1-4-20(2,3)16-10-12-17(13-11-16)22-25(23,24)18-9-5-7-15-8-6-14-21-19(15)18/h5-9,14,16-17,22H,4,10-13H2,1-3H3
InChIKeyIHYYOZIUUMQFTL-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.51
Rot. Bonds5

About N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide

N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide (PubChem CID 22772493) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide
PubChem CID22772493
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide
SMILESCCC(C)(C)C1CCC(NS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C20H28N2O2S/c1-4-20(2,3)16-10-12-17(13-11-16)22-25(23,24)18-9-5-7-15-8-6-14-21-19(15)18/h5-9,14,16-17,22H,4,10-13H2,1-3H3
InChIKeyIHYYOZIUUMQFTL-UHFFFAOYSA-N
XLogP4.51
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptylquinoline-8-sulfonamide
CID 3244108
N-(1-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 22772541
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 17377916
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]quinoline-8-sulfonamide
CID 141223938
N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide
CID 7934673
N-(1-cyanopyrrolidin-3-yl)quinoline-8-sulfonamide
CID 91421233
N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide
CID 22772497
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)cyclohexyl]quinoline-8-sulfonamide
CID 126935356
N-(2-amino-1-cyclopentylethyl)quinoline-8-sulfonamide;hydrochloride
CID 120584995
N-(3-methylpiperidin-4-yl)quinoline-8-sulfonamide
CID 120724842
N-butylquinoline-8-sulfonamide
CID 2068304

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide (CID 22772493) is N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide is CCC(C)(C)C1CCC(NS(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide?
The InChIKey is IHYYOZIUUMQFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-4-20(2,3)16-10-12-17(13-11-16)22-25(23,24)18-9-5-7-15-8-6-14-21-19(15)18/h5-9,14,16-17,22H,4,10-13H2,1-3H3.
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide?
N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide has a molecular weight of 360.52 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]quinoline-8-sulfonamide is sourced from PubChem (CID 22772493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).